[DFTB-Plus-User] transport calculations

[Pierre.Cazade]

Dear DFTB+ users,

I am trying to model a three-contact transport device. Experimentally, one of the contacts behaves as a gate and no current is supposed to flow through it. Again, experimentally, the contact is insulated from the device via a layer of ionic liquid. I hoped to achieve the insulation effect by introducing a proper vacuum gap between that contact and the device. I have been testing this idea on a simpler two-contact system. Even with a gap as large as 1.2 nm, the current still flows, it is even 100 times larger than when the contact interacts with the device. I therefore have two questions:


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first, why this behaviour? Why is the current larger with the vacuum gap?
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second, is there a simple model that can be used to achieve the dielectric effect (insulation) provided by the ionic liquid?

Best regards,
Pierre
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